8640-0039 Screening compound: 8,8-dimethyl-2,3-diphenyl-3,6,8,9-tetrahydro-10H-pyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[1,5-a]pyrimidin-10-one

8640-0039 Screening compound: 8,8-dimethyl-2,3-diphenyl-3,6,8,9-tetrahydro-10H-pyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[1,5-a]pyrimidin-10-one
8640-0039 Screening compound: 8,8-dimethyl-2,3-diphenyl-3,6,8,9-tetrahydro-10H-pyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[1,5-a]pyrimidin-10-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0039
8,8-dimethyl-2,3-diphenyl-3,6,8,9-tetrahydro-10H-pyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[1,5-a]pyrimidin-10-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8640-0039

Molecular Formula

C24H20N4O2S (C24 H20 N4 O2 S)

Compound Name

8,8-dimethyl-2,3-diphenyl-3,6,8,9-tetrahydro-10H-pyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[1,5-a]pyrimidin-10-one

IUPAC name

44-dimethyl-1213-diphenyl-5-oxa-8-thia-10121415-tetraazatetracyclo[7.7.0.0^{27}.0^{1115}]hexadeca-1(9)2(7)1013-tetraen-16-one

SMILES

CC(C)(C1)OCc2c1c(C(N(C1=N3)N=C(c4ccccc4)N1c1ccccc1)=O)c3s2

InChI

InChI=1S/C24H20N4O2S/c1-24(2)13-17-18(14-30-24)31-21-19(17)22(29)28-23(25-21)27(16-11-7-4-8-12-16)20(26-28)15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3

InChI Key

ZVQCDYYEABWZJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00330691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.522

Distribution Coefficient, logD

4.248

Water Solubility, LogSw

-4.61

Polar Surface Area

48.895

Acid Dissociation Constant (pKa)

25.82

Base Dissociation Constant (pKb)

7.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

8640-0039 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8640-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0039?
Check Price and Availability of 8640-0039, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8640-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0039
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8640-0039 available by request